SCHEMBL224837

SCHEMBL224837

COc1ccc2c(c1)CCC(Cc1ccccc1NCc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
CYP19A1 P11511 3/20 0.55
CYP26A1 O43174 1/20 0.55
HTR1A P08908 1/20 0.51
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
ABCB1 P08183 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CYP24A1 Q07973 1/20 0.44
PPM1D O15297 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL224714 0.85 ADRA1D (0.56) SIGMAR1CYP19A1CYP26A1HTR1AGRIN1
SCHEMBL228236 0.84 BACE1 (0.48) SIGMAR1CYP19A1CYP26A1HTR1A
SCHEMBL230132 0.84 CYP19A1 (0.52) CYP19A1CYP26A1GRIN2BPPM1D
Hydrochloric Acid SCHEMBL4622484 0.79 SIGMAR1 (0.58) SIGMAR1CYP19A1CYP26A1HTR1AGRIN1
SCHEMBL224240 0.78 CYP26A1 (0.66) SIGMAR1CYP19A1CYP26A1HTR1ACYP24A1
SCHEMBL228740 0.76 CYP26A1 (0.47) SIGMAR1CYP19A1CYP26A1
SCHEMBL225869 0.75 CYP19A1 (0.50) SIGMAR1CYP19A1CYP26A1HTR1ACYP24A1
SCHEMBL12524812 0.75 GRIN2B (0.66) SIGMAR1GRIN1GRIN2B
SCHEMBL230082 0.73 ESR1 (0.51) ADRA1A
SCHEMBL629921 0.71 CYP19A1 (0.64) SIGMAR1CYP19A1CYP26A1HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 SIGMAR1 778/4885CYP19A1 22/4885CYP26A1 459/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 SIGMAR1 2885/4885CYP19A1 146/4885CYP26A1 857/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 SIGMAR1 743/4885CYP19A1 20/4885CYP26A1 440/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.